2,4-dimethyl-5-[1-[3-[4-(3-propan-2-yl-1,2-oxazol-5-yl)butan-2-yl]-1,2-oxazol-5-yl]propan-2-yl]-1,3-oxazole

C21H29N3O3 — CID 139373420

IUPAC2,4-dimethyl-5-[1-[3-[4-(3-propan-2-yl-1,2-oxazol-5-yl)butan-2-yl]-1,2-oxazol-5-yl]propan-2-yl]-1,3-oxazole
SMILESCc1nc(C)c(C(C)Cc2cc(C(C)CCc3cc(C(C)C)no3)no2)o1
InChIInChI=1S/C21H29N3O3/c1-12(2)19-10-17(26-23-19)8-7-13(3)20-11-18(27-24-20)9-14(4)21-15(5)22-16(6)25-21/h10-14H,7-9H2,1-6H3
InChIKeyIESLXIKLAFKJTM-UHFFFAOYSA-N
MW371.48 g/mol
LogP5.47
Rot. Bonds8

About 2,4-dimethyl-5-[1-[3-[4-(3-propan-2-yl-1,2-oxazol-5-yl)butan-2-yl]-1,2-oxazol-5-yl]propan-2-yl]-1,3-oxazole

2,4-dimethyl-5-[1-[3-[4-(3-propan-2-yl-1,2-oxazol-5-yl)butan-2-yl]-1,2-oxazol-5-yl]propan-2-yl]-1,3-oxazole (PubChem CID 139373420) has the molecular formula C21H29N3O3 and a molecular weight of 371.48 g/mol. Its IUPAC name is 2,4-dimethyl-5-[1-[3-[4-(3-propan-2-yl-1,2-oxazol-5-yl)butan-2-yl]-1,2-oxazol-5-yl]propan-2-yl]-1,3-oxazole.

Molecular Properties

Compound Name2,4-dimethyl-5-[1-[3-[4-(3-propan-2-yl-1,2-oxazol-5-yl)butan-2-yl]-1,2-oxazol-5-yl]propan-2-yl]-1,3-oxazole
PubChem CID139373420
Molecular FormulaC21H29N3O3
Molecular Weight371.48 g/mol
Exact Mass371.22
IUPAC Name2,4-dimethyl-5-[1-[3-[4-(3-propan-2-yl-1,2-oxazol-5-yl)butan-2-yl]-1,2-oxazol-5-yl]propan-2-yl]-1,3-oxazole
SMILESCc1nc(C)c(C(C)Cc2cc(C(C)CCc3cc(C(C)C)no3)no2)o1
InChIInChI=1S/C21H29N3O3/c1-12(2)19-10-17(26-23-19)8-7-13(3)20-11-18(27-24-20)9-14(4)21-15(5)22-16(6)25-21/h10-14H,7-9H2,1-6H3
InChIKeyIESLXIKLAFKJTM-UHFFFAOYSA-N
XLogP5.47
TPSA78.09 Ų
H-Bond Donors
H-Bond Acceptors6
Rotatable Bonds8
Heavy Atoms27
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500371.48
LogP ≤ 55.47
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 106

Analyze 2,4-dimethyl-5-[1-[3-[4-(3-propan-2-yl-1,2-oxazol-5-yl)butan-2-yl]-1,2-oxazol-5-yl]propan-2-yl]-1,3-oxazole with MolForge

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Frequently Asked Questions

What is the IUPAC name of 2,4-dimethyl-5-[1-[3-[4-(3-propan-2-yl-1,2-oxazol-5-yl)butan-2-yl]-1,2-oxazol-5-yl]propan-2-yl]-1,3-oxazole?
The IUPAC name of 2,4-dimethyl-5-[1-[3-[4-(3-propan-2-yl-1,2-oxazol-5-yl)butan-2-yl]-1,2-oxazol-5-yl]propan-2-yl]-1,3-oxazole (CID 139373420) is 2,4-dimethyl-5-[1-[3-[4-(3-propan-2-yl-1,2-oxazol-5-yl)butan-2-yl]-1,2-oxazol-5-yl]propan-2-yl]-1,3-oxazole.
What is the SMILES notation for 2,4-dimethyl-5-[1-[3-[4-(3-propan-2-yl-1,2-oxazol-5-yl)butan-2-yl]-1,2-oxazol-5-yl]propan-2-yl]-1,3-oxazole?
The canonical SMILES for 2,4-dimethyl-5-[1-[3-[4-(3-propan-2-yl-1,2-oxazol-5-yl)butan-2-yl]-1,2-oxazol-5-yl]propan-2-yl]-1,3-oxazole is Cc1nc(C)c(C(C)Cc2cc(C(C)CCc3cc(C(C)C)no3)no2)o1.
What is the InChIKey of 2,4-dimethyl-5-[1-[3-[4-(3-propan-2-yl-1,2-oxazol-5-yl)butan-2-yl]-1,2-oxazol-5-yl]propan-2-yl]-1,3-oxazole?
The InChIKey is IESLXIKLAFKJTM-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H29N3O3/c1-12(2)19-10-17(26-23-19)8-7-13(3)20-11-18(27-24-20)9-14(4)21-15(5)22-16(6)25-21/h10-14H,7-9H2,1-6H3.
What are the key properties of 2,4-dimethyl-5-[1-[3-[4-(3-propan-2-yl-1,2-oxazol-5-yl)butan-2-yl]-1,2-oxazol-5-yl]propan-2-yl]-1,3-oxazole?
2,4-dimethyl-5-[1-[3-[4-(3-propan-2-yl-1,2-oxazol-5-yl)butan-2-yl]-1,2-oxazol-5-yl]propan-2-yl]-1,3-oxazole has a molecular weight of 371.48 g/mol, XLogP of 5.47, 8 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 2,4-dimethyl-5-[1-[3-[4-(3-propan-2-yl-1,2-oxazol-5-yl)butan-2-yl]-1,2-oxazol-5-yl]propan-2-yl]-1,3-oxazole is sourced from PubChem (CID 139373420), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).